Geometry & MOs

Info

ID:	185230
PubChem CID:	77272702
Reduced:	O4N5C22H23 (1)
Stoich.:	A4B5C22D23 (1)
Weight, g/mol:	421.175004
ΔH_f, kcal/mol:	-25.16
Dipole, Da:	7.49
IP(EA), eV:	-9.39(-1.5)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

7-[(4-cyanophenyl)methyl]-6-(2,6-dimethylmorpholin-4-yl)-5-(hydroxymethyl)-[1,2]oxazolo[4,5-b]pyridine-3-carboxamide

Drug info:

PubChemData

Smile

CC1CN(CC(O1)C)C2=CC3=C(C(=NO3)C(=O)NCC4=CC=C(C=C4)C#N)N=C2CO

DOS

IR

Vibrations